N-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

C26H20N2O3 — CID 47086390

IUPACN-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCc3cc4ccccc4[nH]3)cccc2c1=O
InChIInChI=1S/C26H20N2O3/c1-16-23(29)20-11-7-12-21(25(20)31-24(16)17-8-3-2-4-9-17)26(30)27-15-19-14-18-10-5-6-13-22(18)28-19/h2-14,28H,15H2,1H3,(H,27,30)
InChIKeyJEILUZZAJLJZGD-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.18
Rot. Bonds4

About N-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

N-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 47086390) has the molecular formula C26H20N2O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID47086390
Molecular FormulaC26H20N2O3
Molecular Weight408.46 g/mol
Exact Mass408.15
IUPAC NameN-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)NCc3cc4ccccc4[nH]3)cccc2c1=O
InChIInChI=1S/C26H20N2O3/c1-16-23(29)20-11-7-12-21(25(20)31-24(16)17-8-3-2-4-9-17)26(30)27-15-19-14-18-10-5-6-13-22(18)28-19/h2-14,28H,15H2,1H3,(H,27,30)
InChIKeyJEILUZZAJLJZGD-UHFFFAOYSA-N
XLogP5.18
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]propanoic acid
CID 166207623
N-(2-ethylsulfonylethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 166187970
3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
CID 125433000
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 55878876
N-[2-(2-methoxyphenoxy)ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 43009458
3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 167935390
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 4210141
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 41009907
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 46823937
1H-indol-2-ylmethylcarbamic acid
CID 68691362
N-(5-fluoro-2-methylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 9097604

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (CID 47086390) is N-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)NCc3cc4ccccc4[nH]3)cccc2c1=O.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is JEILUZZAJLJZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3/c1-16-23(29)20-11-7-12-21(25(20)31-24(16)17-8-3-2-4-9-17)26(30)27-15-19-14-18-10-5-6-13-22(18)28-19/h2-14,28H,15H2,1H3,(H,27,30).
What are the key properties of N-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
N-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 47086390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).